USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 GLN : amide:sc= -1.24! C(o=-3!,f=-7!) USER MOD Set 1.2: A 48 ASN : amide:sc= -1.72! C(o=-3!,f=-8.3!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.125 USER MOD Set 2.2: A 113 ASN : amide:sc= -0.644 K(o=-0.52,f=1.3) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 49:sc= 1.07 USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.000809 USER MOD Single : A 10 SER OG : rot -130:sc= -0.958 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0313 USER MOD Single : A 17 THR OG1 : rot 112:sc= 1.34 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.356 K(o=-0.36,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 86:sc= 0.505 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0883 USER MOD Single : A 53 SER OG : rot 180:sc=-0.00846 USER MOD Single : A 54 SER OG : rot -83:sc= 0.433 USER MOD Single : A 56 THR OG1 : rot 14:sc= 0.104 USER MOD Single : A 60 ASN : amide:sc= 1.19 K(o=1.2,f=-0.13) USER MOD Single : A 62 SER OG : rot 37:sc= 0.867 USER MOD Single : A 64 SER OG : rot 8:sc= 0.942 USER MOD Single : A 65 THR OG1 : rot 178:sc= 0.137 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -90:sc= 1.09 USER MOD Single : A 81 THR OG1 : rot 116:sc= 1.07 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 89:sc= 0.435 USER MOD Single : A 90 THR OG1 : rot -40:sc= 0.0275 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -1:sc= 0.331 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.071 4.689 16.338 1.00 0.00 N ATOM 2 CA ALA A 1 -16.346 4.076 15.018 1.00 0.00 C ATOM 3 C ALA A 1 -15.186 3.181 14.588 1.00 0.00 C ATOM 4 O ALA A 1 -14.202 3.657 14.017 1.00 0.00 O ATOM 5 CB ALA A 1 -16.597 5.153 13.970 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.871 5.294 16.613 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.942 3.940 17.048 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.206 5.264 16.280 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.242 3.462 15.108 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.797 4.684 13.007 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.456 5.755 14.266 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.718 5.792 13.887 1.00 0.00 H new ATOM 11 N ALA A 2 -15.291 1.893 14.891 1.00 0.00 N ATOM 12 CA ALA A 2 -14.263 0.930 14.534 1.00 0.00 C ATOM 13 C ALA A 2 -14.527 0.356 13.146 1.00 0.00 C ATOM 14 O ALA A 2 -15.536 -0.319 12.924 1.00 0.00 O ATOM 15 CB ALA A 2 -14.209 -0.181 15.567 1.00 0.00 C ATOM 0 H ALA A 2 -16.086 1.491 15.388 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.299 1.438 14.516 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.436 -0.898 15.291 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.979 0.242 16.545 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.174 -0.686 15.608 1.00 0.00 H new ATOM 21 N PRO A 3 -13.627 0.624 12.193 1.00 0.00 N ATOM 22 CA PRO A 3 -13.761 0.146 10.819 1.00 0.00 C ATOM 23 C PRO A 3 -13.305 -1.301 10.644 1.00 0.00 C ATOM 24 O PRO A 3 -12.740 -1.906 11.558 1.00 0.00 O ATOM 25 CB PRO A 3 -12.846 1.093 10.044 1.00 0.00 C ATOM 26 CG PRO A 3 -11.769 1.449 11.011 1.00 0.00 C ATOM 27 CD PRO A 3 -12.401 1.426 12.380 1.00 0.00 C ATOM 0 HA PRO A 3 -14.798 0.147 10.485 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.438 0.611 9.155 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.385 1.978 9.707 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.944 0.739 10.952 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.358 2.434 10.789 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.738 0.975 13.118 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.632 2.432 12.730 1.00 0.00 H new ATOM 35 N THR A 4 -13.560 -1.852 9.467 1.00 0.00 N ATOM 36 CA THR A 4 -13.179 -3.215 9.152 1.00 0.00 C ATOM 37 C THR A 4 -11.962 -3.221 8.230 1.00 0.00 C ATOM 38 O THR A 4 -12.092 -3.070 7.013 1.00 0.00 O ATOM 39 CB THR A 4 -14.333 -3.972 8.467 1.00 0.00 C ATOM 40 OG1 THR A 4 -15.592 -3.500 8.966 1.00 0.00 O ATOM 41 CG2 THR A 4 -14.220 -5.470 8.703 1.00 0.00 C ATOM 0 H THR A 4 -14.036 -1.366 8.707 1.00 0.00 H new ATOM 0 HA THR A 4 -12.937 -3.716 10.089 1.00 0.00 H new ATOM 0 HB THR A 4 -14.271 -3.786 7.395 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.321 -3.984 8.525 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.047 -5.980 8.209 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.276 -5.832 8.297 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.256 -5.673 9.773 1.00 0.00 H new ATOM 49 N ALA A 5 -10.785 -3.370 8.815 1.00 0.00 N ATOM 50 CA ALA A 5 -9.549 -3.398 8.047 1.00 0.00 C ATOM 51 C ALA A 5 -9.172 -4.831 7.695 1.00 0.00 C ATOM 52 O ALA A 5 -8.207 -5.385 8.224 1.00 0.00 O ATOM 53 CB ALA A 5 -8.431 -2.721 8.825 1.00 0.00 C ATOM 0 H ALA A 5 -10.658 -3.474 9.822 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.702 -2.850 7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -7.512 -2.749 8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -8.703 -1.685 9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.276 -3.244 9.769 1.00 0.00 H new ATOM 59 N THR A 6 -9.943 -5.426 6.802 1.00 0.00 N ATOM 60 CA THR A 6 -9.709 -6.795 6.383 1.00 0.00 C ATOM 61 C THR A 6 -8.824 -6.861 5.140 1.00 0.00 C ATOM 62 O THR A 6 -9.238 -6.487 4.043 1.00 0.00 O ATOM 63 CB THR A 6 -11.049 -7.503 6.116 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.037 -6.540 5.719 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.528 -8.232 7.360 1.00 0.00 C ATOM 0 H THR A 6 -10.741 -4.979 6.351 1.00 0.00 H new ATOM 0 HA THR A 6 -9.185 -7.305 7.192 1.00 0.00 H new ATOM 0 HB THR A 6 -10.901 -8.230 5.317 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.672 -5.970 5.010 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.477 -8.726 7.150 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.788 -8.977 7.653 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.663 -7.517 8.171 1.00 0.00 H new ATOM 73 N VAL A 7 -7.592 -7.318 5.321 1.00 0.00 N ATOM 74 CA VAL A 7 -6.655 -7.438 4.215 1.00 0.00 C ATOM 75 C VAL A 7 -6.063 -8.843 4.169 1.00 0.00 C ATOM 76 O VAL A 7 -5.916 -9.496 5.205 1.00 0.00 O ATOM 77 CB VAL A 7 -5.512 -6.402 4.312 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.054 -4.986 4.167 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.744 -6.546 5.619 1.00 0.00 C ATOM 0 H VAL A 7 -7.219 -7.611 6.224 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.213 -7.244 3.299 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.820 -6.595 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.233 -4.273 4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.543 -4.881 3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.775 -4.789 4.960 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.947 -5.803 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.422 -6.393 6.458 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.312 -7.545 5.679 1.00 0.00 H new ATOM 89 N THR A 8 -5.742 -9.313 2.975 1.00 0.00 N ATOM 90 CA THR A 8 -5.163 -10.635 2.804 1.00 0.00 C ATOM 91 C THR A 8 -3.644 -10.549 2.653 1.00 0.00 C ATOM 92 O THR A 8 -3.140 -10.042 1.653 1.00 0.00 O ATOM 93 CB THR A 8 -5.762 -11.346 1.576 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.194 -11.242 1.605 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.355 -12.813 1.545 1.00 0.00 C ATOM 0 H THR A 8 -5.873 -8.796 2.106 1.00 0.00 H new ATOM 0 HA THR A 8 -5.400 -11.214 3.697 1.00 0.00 H new ATOM 0 HB THR A 8 -5.378 -10.862 0.678 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.571 -11.694 0.821 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.791 -13.293 0.669 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.269 -12.888 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.714 -13.309 2.447 1.00 0.00 H new ATOM 103 N PRO A 9 -2.895 -11.029 3.659 1.00 0.00 N ATOM 104 CA PRO A 9 -1.436 -11.001 3.628 1.00 0.00 C ATOM 105 C PRO A 9 -0.855 -12.097 2.733 1.00 0.00 C ATOM 106 O PRO A 9 -1.409 -13.191 2.625 1.00 0.00 O ATOM 107 CB PRO A 9 -1.048 -11.233 5.090 1.00 0.00 C ATOM 108 CG PRO A 9 -2.175 -12.026 5.665 1.00 0.00 C ATOM 109 CD PRO A 9 -3.414 -11.634 4.902 1.00 0.00 C ATOM 0 HA PRO A 9 -1.051 -10.068 3.216 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.105 -11.774 5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.919 -10.289 5.619 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.984 -13.095 5.570 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.293 -11.816 6.728 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.043 -12.499 4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.022 -10.927 5.466 1.00 0.00 H new ATOM 117 N SER A 10 0.261 -11.791 2.086 1.00 0.00 N ATOM 118 CA SER A 10 0.928 -12.742 1.208 1.00 0.00 C ATOM 119 C SER A 10 2.155 -13.330 1.904 1.00 0.00 C ATOM 120 O SER A 10 3.170 -13.620 1.270 1.00 0.00 O ATOM 121 CB SER A 10 1.330 -12.048 -0.093 1.00 0.00 C ATOM 122 OG SER A 10 0.300 -11.180 -0.537 1.00 0.00 O ATOM 0 H SER A 10 0.726 -10.886 2.154 1.00 0.00 H new ATOM 0 HA SER A 10 0.243 -13.557 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.249 -11.482 0.060 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.539 -12.794 -0.859 1.00 0.00 H new ATOM 0 HG SER A 10 0.107 -11.358 -1.481 1.00 0.00 H new ATOM 128 N SER A 11 2.048 -13.501 3.214 1.00 0.00 N ATOM 129 CA SER A 11 3.134 -14.039 4.014 1.00 0.00 C ATOM 130 C SER A 11 3.389 -15.510 3.681 1.00 0.00 C ATOM 131 O SER A 11 2.519 -16.362 3.868 1.00 0.00 O ATOM 132 CB SER A 11 2.796 -13.877 5.493 1.00 0.00 C ATOM 133 OG SER A 11 2.179 -12.618 5.728 1.00 0.00 O ATOM 0 H SER A 11 1.210 -13.271 3.748 1.00 0.00 H new ATOM 0 HA SER A 11 4.046 -13.488 3.786 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.130 -14.680 5.810 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.704 -13.961 6.091 1.00 0.00 H new ATOM 0 HG SER A 11 1.967 -12.530 6.681 1.00 0.00 H new ATOM 139 N GLY A 12 4.575 -15.794 3.162 1.00 0.00 N ATOM 140 CA GLY A 12 4.928 -17.154 2.816 1.00 0.00 C ATOM 141 C GLY A 12 4.740 -17.444 1.342 1.00 0.00 C ATOM 142 O GLY A 12 4.900 -18.583 0.905 1.00 0.00 O ATOM 0 H GLY A 12 5.301 -15.103 2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.967 -17.337 3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.318 -17.844 3.400 1.00 0.00 H new ATOM 146 N LEU A 13 4.404 -16.418 0.572 1.00 0.00 N ATOM 147 CA LEU A 13 4.195 -16.584 -0.861 1.00 0.00 C ATOM 148 C LEU A 13 5.379 -16.016 -1.640 1.00 0.00 C ATOM 149 O LEU A 13 6.397 -15.651 -1.049 1.00 0.00 O ATOM 150 CB LEU A 13 2.885 -15.915 -1.293 1.00 0.00 C ATOM 151 CG LEU A 13 1.645 -16.320 -0.484 1.00 0.00 C ATOM 152 CD1 LEU A 13 0.384 -15.768 -1.121 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.550 -17.832 -0.352 1.00 0.00 C ATOM 0 H LEU A 13 4.271 -15.466 0.913 1.00 0.00 H new ATOM 0 HA LEU A 13 4.121 -17.649 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.008 -14.834 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.706 -16.148 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 13 1.745 -15.895 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.483 -16.067 -0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.441 -14.680 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.286 -16.160 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.663 -18.092 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.482 -18.280 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.437 -18.209 0.157 1.00 0.00 H new ATOM 165 N SER A 14 5.264 -15.971 -2.958 1.00 0.00 N ATOM 166 CA SER A 14 6.333 -15.451 -3.800 1.00 0.00 C ATOM 167 C SER A 14 5.950 -14.089 -4.381 1.00 0.00 C ATOM 168 O SER A 14 4.815 -13.636 -4.221 1.00 0.00 O ATOM 169 CB SER A 14 6.628 -16.440 -4.928 1.00 0.00 C ATOM 170 OG SER A 14 6.579 -17.777 -4.459 1.00 0.00 O ATOM 0 H SER A 14 4.441 -16.288 -3.469 1.00 0.00 H new ATOM 0 HA SER A 14 7.227 -15.323 -3.190 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.904 -16.306 -5.732 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.613 -16.234 -5.348 1.00 0.00 H new ATOM 0 HG SER A 14 6.769 -18.390 -5.199 1.00 0.00 H new ATOM 176 N ASP A 15 6.896 -13.426 -5.044 1.00 0.00 N ATOM 177 CA ASP A 15 6.617 -12.127 -5.647 1.00 0.00 C ATOM 178 C ASP A 15 5.701 -12.308 -6.846 1.00 0.00 C ATOM 179 O ASP A 15 5.694 -13.366 -7.476 1.00 0.00 O ATOM 180 CB ASP A 15 7.909 -11.406 -6.055 1.00 0.00 C ATOM 181 CG ASP A 15 8.473 -11.874 -7.385 1.00 0.00 C ATOM 182 OD1 ASP A 15 9.211 -12.880 -7.398 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.203 -11.221 -8.418 1.00 0.00 O ATOM 0 H ASP A 15 7.850 -13.762 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 15 6.119 -11.503 -4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.716 -10.335 -6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.659 -11.556 -5.279 1.00 0.00 H new ATOM 188 N GLY A 16 4.915 -11.291 -7.146 1.00 0.00 N ATOM 189 CA GLY A 16 4.000 -11.381 -8.260 1.00 0.00 C ATOM 190 C GLY A 16 2.611 -11.749 -7.798 1.00 0.00 C ATOM 191 O GLY A 16 1.661 -11.718 -8.576 1.00 0.00 O ATOM 0 H GLY A 16 4.893 -10.406 -6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.970 -10.427 -8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.359 -12.126 -8.970 1.00 0.00 H new ATOM 195 N THR A 17 2.493 -12.101 -6.526 1.00 0.00 N ATOM 196 CA THR A 17 1.212 -12.465 -5.958 1.00 0.00 C ATOM 197 C THR A 17 0.356 -11.217 -5.763 1.00 0.00 C ATOM 198 O THR A 17 0.868 -10.149 -5.421 1.00 0.00 O ATOM 199 CB THR A 17 1.382 -13.195 -4.610 1.00 0.00 C ATOM 200 OG1 THR A 17 2.318 -14.269 -4.755 1.00 0.00 O ATOM 201 CG2 THR A 17 0.051 -13.748 -4.116 1.00 0.00 C ATOM 0 H THR A 17 3.273 -12.141 -5.870 1.00 0.00 H new ATOM 0 HA THR A 17 0.717 -13.144 -6.652 1.00 0.00 H new ATOM 0 HB THR A 17 1.753 -12.477 -3.879 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.134 -14.062 -4.252 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.200 -14.258 -3.164 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.656 -12.929 -3.983 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.344 -14.453 -4.847 1.00 0.00 H new ATOM 209 N VAL A 18 -0.935 -11.350 -6.005 1.00 0.00 N ATOM 210 CA VAL A 18 -1.851 -10.234 -5.864 1.00 0.00 C ATOM 211 C VAL A 18 -2.380 -10.137 -4.437 1.00 0.00 C ATOM 212 O VAL A 18 -2.972 -11.083 -3.914 1.00 0.00 O ATOM 213 CB VAL A 18 -3.030 -10.362 -6.847 1.00 0.00 C ATOM 214 CG1 VAL A 18 -3.948 -9.160 -6.744 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.525 -10.516 -8.271 1.00 0.00 C ATOM 0 H VAL A 18 -1.373 -12.222 -6.301 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.297 -9.324 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.597 -11.254 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.774 -9.271 -7.447 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.342 -9.089 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.390 -8.254 -6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.373 -10.605 -8.950 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.932 -9.643 -8.543 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.907 -11.411 -8.343 1.00 0.00 H new ATOM 225 N VAL A 19 -2.150 -8.993 -3.810 1.00 0.00 N ATOM 226 CA VAL A 19 -2.608 -8.749 -2.449 1.00 0.00 C ATOM 227 C VAL A 19 -4.018 -8.176 -2.474 1.00 0.00 C ATOM 228 O VAL A 19 -4.275 -7.186 -3.159 1.00 0.00 O ATOM 229 CB VAL A 19 -1.680 -7.763 -1.706 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.053 -7.671 -0.237 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.223 -8.169 -1.860 1.00 0.00 C ATOM 0 H VAL A 19 -1.644 -8.212 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.596 -9.702 -1.921 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.810 -6.778 -2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.385 -6.971 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.081 -7.322 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.960 -8.654 0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.411 -7.459 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.078 -9.167 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.044 -8.173 -2.917 1.00 0.00 H new ATOM 241 N LYS A 20 -4.925 -8.795 -1.734 1.00 0.00 N ATOM 242 CA LYS A 20 -6.305 -8.341 -1.689 1.00 0.00 C ATOM 243 C LYS A 20 -6.540 -7.408 -0.508 1.00 0.00 C ATOM 244 O LYS A 20 -6.215 -7.737 0.635 1.00 0.00 O ATOM 245 CB LYS A 20 -7.254 -9.536 -1.604 1.00 0.00 C ATOM 246 CG LYS A 20 -8.719 -9.159 -1.734 1.00 0.00 C ATOM 247 CD LYS A 20 -9.607 -10.387 -1.683 1.00 0.00 C ATOM 248 CE LYS A 20 -11.066 -10.042 -1.943 1.00 0.00 C ATOM 249 NZ LYS A 20 -11.922 -11.257 -2.015 1.00 0.00 N ATOM 0 H LYS A 20 -4.730 -9.613 -1.157 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.505 -7.788 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.000 -10.248 -2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.101 -10.044 -0.652 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.994 -8.475 -0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.879 -8.630 -2.673 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.268 -11.112 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.515 -10.862 -0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.431 -9.388 -1.151 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.146 -9.486 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.908 -10.977 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.591 -11.870 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.867 -11.775 -1.115 1.00 0.00 H new ATOM 263 N VAL A 21 -7.102 -6.245 -0.793 1.00 0.00 N ATOM 264 CA VAL A 21 -7.393 -5.255 0.234 1.00 0.00 C ATOM 265 C VAL A 21 -8.884 -4.927 0.245 1.00 0.00 C ATOM 266 O VAL A 21 -9.454 -4.580 -0.792 1.00 0.00 O ATOM 267 CB VAL A 21 -6.587 -3.956 0.000 1.00 0.00 C ATOM 268 CG1 VAL A 21 -7.022 -2.858 0.964 1.00 0.00 C ATOM 269 CG2 VAL A 21 -5.095 -4.225 0.130 1.00 0.00 C ATOM 0 H VAL A 21 -7.368 -5.961 -1.736 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.104 -5.679 1.196 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.790 -3.610 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.438 -1.957 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.080 -2.642 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.859 -3.189 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.543 -3.300 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.879 -4.601 1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.793 -4.967 -0.609 1.00 0.00 H new ATOM 279 N ALA A 22 -9.515 -5.053 1.405 1.00 0.00 N ATOM 280 CA ALA A 22 -10.933 -4.758 1.538 1.00 0.00 C ATOM 281 C ALA A 22 -11.199 -3.970 2.814 1.00 0.00 C ATOM 282 O ALA A 22 -11.366 -4.545 3.893 1.00 0.00 O ATOM 283 CB ALA A 22 -11.749 -6.041 1.525 1.00 0.00 C ATOM 0 H ALA A 22 -9.065 -5.358 2.268 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.237 -4.148 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.807 -5.800 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.584 -6.567 0.585 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.441 -6.676 2.355 1.00 0.00 H new ATOM 289 N GLY A 23 -11.220 -2.655 2.691 1.00 0.00 N ATOM 290 CA GLY A 23 -11.463 -1.812 3.839 1.00 0.00 C ATOM 291 C GLY A 23 -12.890 -1.313 3.884 1.00 0.00 C ATOM 292 O GLY A 23 -13.347 -0.641 2.960 1.00 0.00 O ATOM 0 H GLY A 23 -11.073 -2.155 1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.245 -2.369 4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.782 -0.961 3.815 1.00 0.00 H new ATOM 296 N ALA A 24 -13.600 -1.653 4.947 1.00 0.00 N ATOM 297 CA ALA A 24 -14.981 -1.229 5.104 1.00 0.00 C ATOM 298 C ALA A 24 -15.125 -0.347 6.333 1.00 0.00 C ATOM 299 O ALA A 24 -14.372 -0.486 7.297 1.00 0.00 O ATOM 300 CB ALA A 24 -15.905 -2.436 5.191 1.00 0.00 C ATOM 0 H ALA A 24 -13.242 -2.222 5.714 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.268 -0.647 4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -16.935 -2.098 5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.819 -3.027 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.624 -3.048 6.048 1.00 0.00 H new ATOM 306 N GLY A 25 -16.079 0.570 6.292 1.00 0.00 N ATOM 307 CA GLY A 25 -16.294 1.465 7.409 1.00 0.00 C ATOM 308 C GLY A 25 -15.385 2.670 7.339 1.00 0.00 C ATOM 309 O GLY A 25 -15.054 3.271 8.358 1.00 0.00 O ATOM 0 H GLY A 25 -16.710 0.711 5.503 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.334 1.793 7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.120 0.931 8.343 1.00 0.00 H new ATOM 313 N LEU A 26 -14.970 3.012 6.126 1.00 0.00 N ATOM 314 CA LEU A 26 -14.091 4.149 5.908 1.00 0.00 C ATOM 315 C LEU A 26 -14.910 5.373 5.511 1.00 0.00 C ATOM 316 O LEU A 26 -16.143 5.332 5.523 1.00 0.00 O ATOM 317 CB LEU A 26 -13.062 3.824 4.822 1.00 0.00 C ATOM 318 CG LEU A 26 -12.213 2.574 5.077 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.333 2.274 3.873 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.363 2.745 6.327 1.00 0.00 C ATOM 0 H LEU A 26 -15.231 2.514 5.275 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.560 4.366 6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.586 3.700 3.874 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.395 4.679 4.709 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.886 1.731 5.234 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.737 1.383 4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.960 2.104 2.998 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.671 3.120 3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.769 1.846 6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.700 3.601 6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.011 2.911 7.188 1.00 0.00 H new ATOM 332 N GLN A 27 -14.236 6.453 5.149 1.00 0.00 N ATOM 333 CA GLN A 27 -14.928 7.673 4.758 1.00 0.00 C ATOM 334 C GLN A 27 -15.344 7.610 3.294 1.00 0.00 C ATOM 335 O GLN A 27 -14.505 7.702 2.395 1.00 0.00 O ATOM 336 CB GLN A 27 -14.049 8.901 5.012 1.00 0.00 C ATOM 337 CG GLN A 27 -14.720 10.217 4.644 1.00 0.00 C ATOM 338 CD GLN A 27 -16.117 10.355 5.222 1.00 0.00 C ATOM 339 OE1 GLN A 27 -16.402 9.879 6.321 1.00 0.00 O ATOM 340 NE2 GLN A 27 -17.001 10.993 4.474 1.00 0.00 N ATOM 0 H GLN A 27 -13.218 6.511 5.117 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.827 7.763 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.771 8.927 6.066 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.126 8.801 4.441 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.104 11.044 4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -14.773 10.300 3.558 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -16.724 11.373 3.569 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.960 11.106 4.802 1.00 0.00 H new ATOM 349 N ALA A 28 -16.643 7.448 3.066 1.00 0.00 N ATOM 350 CA ALA A 28 -17.189 7.367 1.717 1.00 0.00 C ATOM 351 C ALA A 28 -16.946 8.663 0.949 1.00 0.00 C ATOM 352 O ALA A 28 -17.041 9.757 1.512 1.00 0.00 O ATOM 353 CB ALA A 28 -18.676 7.061 1.775 1.00 0.00 C ATOM 0 H ALA A 28 -17.342 7.370 3.805 1.00 0.00 H new ATOM 0 HA ALA A 28 -16.679 6.561 1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.075 7.002 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -18.832 6.109 2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.189 7.852 2.322 1.00 0.00 H new ATOM 359 N GLY A 29 -16.635 8.537 -0.336 1.00 0.00 N ATOM 360 CA GLY A 29 -16.383 9.707 -1.157 1.00 0.00 C ATOM 361 C GLY A 29 -14.946 10.182 -1.060 1.00 0.00 C ATOM 362 O GLY A 29 -14.646 11.343 -1.333 1.00 0.00 O ATOM 0 H GLY A 29 -16.553 7.645 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.617 9.476 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.051 10.513 -0.852 1.00 0.00 H new ATOM 366 N THR A 30 -14.055 9.283 -0.673 1.00 0.00 N ATOM 367 CA THR A 30 -12.646 9.618 -0.541 1.00 0.00 C ATOM 368 C THR A 30 -11.780 8.575 -1.237 1.00 0.00 C ATOM 369 O THR A 30 -12.097 7.385 -1.213 1.00 0.00 O ATOM 370 CB THR A 30 -12.239 9.711 0.940 1.00 0.00 C ATOM 371 OG1 THR A 30 -13.362 10.134 1.724 1.00 0.00 O ATOM 372 CG2 THR A 30 -11.090 10.688 1.128 1.00 0.00 C ATOM 0 H THR A 30 -14.283 8.315 -0.445 1.00 0.00 H new ATOM 0 HA THR A 30 -12.491 10.589 -1.012 1.00 0.00 H new ATOM 0 HB THR A 30 -11.911 8.725 1.268 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.899 9.353 1.975 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.822 10.735 2.183 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.229 10.353 0.549 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.394 11.677 0.786 1.00 0.00 H new ATOM 380 N ALA A 31 -10.700 9.022 -1.868 1.00 0.00 N ATOM 381 CA ALA A 31 -9.802 8.116 -2.566 1.00 0.00 C ATOM 382 C ALA A 31 -8.689 7.646 -1.645 1.00 0.00 C ATOM 383 O ALA A 31 -7.980 8.457 -1.048 1.00 0.00 O ATOM 384 CB ALA A 31 -9.225 8.786 -3.802 1.00 0.00 C ATOM 0 H ALA A 31 -10.427 10.004 -1.909 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.374 7.244 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.555 8.094 -4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.035 9.069 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.670 9.677 -3.507 1.00 0.00 H new ATOM 390 N TYR A 32 -8.551 6.335 -1.524 1.00 0.00 N ATOM 391 CA TYR A 32 -7.526 5.745 -0.683 1.00 0.00 C ATOM 392 C TYR A 32 -6.408 5.178 -1.546 1.00 0.00 C ATOM 393 O TYR A 32 -6.629 4.282 -2.365 1.00 0.00 O ATOM 394 CB TYR A 32 -8.122 4.648 0.208 1.00 0.00 C ATOM 395 CG TYR A 32 -8.947 5.181 1.364 1.00 0.00 C ATOM 396 CD1 TYR A 32 -10.217 5.704 1.152 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.453 5.165 2.663 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.971 6.198 2.202 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.201 5.657 3.719 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.459 6.173 3.482 1.00 0.00 C ATOM 401 OH TYR A 32 -11.206 6.667 4.531 1.00 0.00 O ATOM 0 H TYR A 32 -9.142 5.656 -2.003 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.115 6.522 -0.038 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.747 3.996 -0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.313 4.034 0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.622 5.725 0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.469 4.762 2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.956 6.601 2.020 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.802 5.637 4.723 1.00 0.00 H new ATOM 0 HH TYR A 32 -10.700 6.574 5.365 1.00 0.00 H new ATOM 411 N ASP A 33 -5.215 5.720 -1.370 1.00 0.00 N ATOM 412 CA ASP A 33 -4.047 5.282 -2.119 1.00 0.00 C ATOM 413 C ASP A 33 -3.520 3.989 -1.525 1.00 0.00 C ATOM 414 O ASP A 33 -3.183 3.932 -0.339 1.00 0.00 O ATOM 415 CB ASP A 33 -2.959 6.358 -2.085 1.00 0.00 C ATOM 416 CG ASP A 33 -2.190 6.455 -3.387 1.00 0.00 C ATOM 417 OD1 ASP A 33 -1.285 5.627 -3.615 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.481 7.379 -4.185 1.00 0.00 O ATOM 0 H ASP A 33 -5.028 6.473 -0.707 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.333 5.112 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.415 7.323 -1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.265 6.141 -1.273 1.00 0.00 H new ATOM 423 N VAL A 34 -3.475 2.945 -2.337 1.00 0.00 N ATOM 424 CA VAL A 34 -3.007 1.648 -1.878 1.00 0.00 C ATOM 425 C VAL A 34 -1.923 1.095 -2.800 1.00 0.00 C ATOM 426 O VAL A 34 -2.122 0.958 -4.012 1.00 0.00 O ATOM 427 CB VAL A 34 -4.160 0.622 -1.784 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.734 -0.588 -0.967 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.416 1.254 -1.194 1.00 0.00 C ATOM 0 H VAL A 34 -3.757 2.971 -3.317 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.592 1.803 -0.882 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.397 0.291 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.559 -1.299 -0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.876 -1.064 -1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.462 -0.270 0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.208 0.507 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.200 1.626 -0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.739 2.081 -1.826 1.00 0.00 H new ATOM 439 N GLY A 35 -0.777 0.793 -2.209 1.00 0.00 N ATOM 440 CA GLY A 35 0.341 0.240 -2.946 1.00 0.00 C ATOM 441 C GLY A 35 1.245 -0.545 -2.023 1.00 0.00 C ATOM 442 O GLY A 35 0.987 -0.608 -0.824 1.00 0.00 O ATOM 0 H GLY A 35 -0.600 0.924 -1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.025 -0.407 -3.743 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.905 1.043 -3.421 1.00 0.00 H new ATOM 446 N GLN A 36 2.300 -1.148 -2.552 1.00 0.00 N ATOM 447 CA GLN A 36 3.219 -1.906 -1.710 1.00 0.00 C ATOM 448 C GLN A 36 4.225 -0.960 -1.056 1.00 0.00 C ATOM 449 O GLN A 36 5.416 -0.993 -1.347 1.00 0.00 O ATOM 450 CB GLN A 36 3.942 -3.005 -2.504 1.00 0.00 C ATOM 451 CG GLN A 36 4.363 -2.591 -3.906 1.00 0.00 C ATOM 452 CD GLN A 36 5.267 -3.613 -4.579 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.215 -3.800 -5.793 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.108 -4.275 -3.798 1.00 0.00 N ATOM 0 H GLN A 36 2.540 -1.130 -3.543 1.00 0.00 H new ATOM 0 HA GLN A 36 2.636 -2.400 -0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.827 -3.316 -1.949 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.289 -3.875 -2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.473 -2.442 -4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.880 -1.633 -3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.123 -4.093 -2.794 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.741 -4.967 -4.200 1.00 0.00 H new ATOM 463 N CYS A 37 3.716 -0.091 -0.195 1.00 0.00 N ATOM 464 CA CYS A 37 4.547 0.876 0.505 1.00 0.00 C ATOM 465 C CYS A 37 5.349 0.201 1.602 1.00 0.00 C ATOM 466 O CYS A 37 4.790 -0.216 2.614 1.00 0.00 O ATOM 467 CB CYS A 37 3.683 1.972 1.118 1.00 0.00 C ATOM 468 SG CYS A 37 2.311 2.530 0.062 1.00 0.00 S ATOM 0 H CYS A 37 2.724 -0.036 0.036 1.00 0.00 H new ATOM 0 HA CYS A 37 5.233 1.315 -0.219 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.275 1.610 2.062 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.316 2.828 1.352 1.00 0.00 H new ATOM 473 N ALA A 38 6.654 0.100 1.396 1.00 0.00 N ATOM 474 CA ALA A 38 7.535 -0.524 2.367 1.00 0.00 C ATOM 475 C ALA A 38 8.598 0.455 2.847 1.00 0.00 C ATOM 476 O ALA A 38 8.591 1.630 2.467 1.00 0.00 O ATOM 477 CB ALA A 38 8.175 -1.769 1.770 1.00 0.00 C ATOM 0 H ALA A 38 7.126 0.445 0.560 1.00 0.00 H new ATOM 0 HA ALA A 38 6.941 -0.819 3.232 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.834 -2.229 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.397 -2.478 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.754 -1.494 0.888 1.00 0.00 H new ATOM 483 N TRP A 39 9.503 -0.036 3.684 1.00 0.00 N ATOM 484 CA TRP A 39 10.574 0.780 4.238 1.00 0.00 C ATOM 485 C TRP A 39 11.598 1.144 3.171 1.00 0.00 C ATOM 486 O TRP A 39 12.327 0.284 2.679 1.00 0.00 O ATOM 487 CB TRP A 39 11.263 0.035 5.382 1.00 0.00 C ATOM 488 CG TRP A 39 11.243 0.784 6.678 1.00 0.00 C ATOM 489 CD1 TRP A 39 10.168 1.390 7.260 1.00 0.00 C ATOM 490 CD2 TRP A 39 12.351 1.003 7.557 1.00 0.00 C ATOM 491 NE1 TRP A 39 10.537 1.967 8.449 1.00 0.00 N ATOM 492 CE2 TRP A 39 11.872 1.746 8.652 1.00 0.00 C ATOM 493 CE3 TRP A 39 13.699 0.641 7.523 1.00 0.00 C ATOM 494 CZ2 TRP A 39 12.696 2.130 9.703 1.00 0.00 C ATOM 495 CZ3 TRP A 39 14.517 1.027 8.567 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.013 1.763 9.645 1.00 0.00 C ATOM 0 H TRP A 39 9.515 -1.007 3.996 1.00 0.00 H new ATOM 0 HA TRP A 39 10.133 1.702 4.617 1.00 0.00 H new ATOM 0 HB2 TRP A 39 10.777 -0.930 5.522 1.00 0.00 H new ATOM 0 HB3 TRP A 39 12.297 -0.166 5.103 1.00 0.00 H new ATOM 0 HD1 TRP A 39 9.171 1.412 6.845 1.00 0.00 H new ATOM 0 HE1 TRP A 39 9.917 2.477 9.079 1.00 0.00 H new ATOM 0 HE3 TRP A 39 14.095 0.070 6.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.310 2.698 10.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 15.562 0.756 8.551 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.677 2.047 10.448 1.00 0.00 H new ATOM 507 N VAL A 40 11.643 2.421 2.820 1.00 0.00 N ATOM 508 CA VAL A 40 12.583 2.906 1.817 1.00 0.00 C ATOM 509 C VAL A 40 13.800 3.542 2.497 1.00 0.00 C ATOM 510 O VAL A 40 14.875 3.654 1.906 1.00 0.00 O ATOM 511 CB VAL A 40 11.910 3.923 0.856 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.464 5.174 1.599 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.840 4.285 -0.296 1.00 0.00 C ATOM 0 H VAL A 40 11.039 3.142 3.215 1.00 0.00 H new ATOM 0 HA VAL A 40 12.912 2.053 1.224 1.00 0.00 H new ATOM 0 HB VAL A 40 11.023 3.445 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.997 5.866 0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.746 4.901 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.329 5.652 2.059 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.344 4.999 -0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.753 4.730 0.100 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.089 3.385 -0.859 1.00 0.00 H new ATOM 523 N ASP A 41 13.617 3.938 3.751 1.00 0.00 N ATOM 524 CA ASP A 41 14.678 4.557 4.536 1.00 0.00 C ATOM 525 C ASP A 41 14.314 4.493 6.014 1.00 0.00 C ATOM 526 O ASP A 41 13.199 4.108 6.360 1.00 0.00 O ATOM 527 CB ASP A 41 14.875 6.013 4.104 1.00 0.00 C ATOM 528 CG ASP A 41 16.230 6.573 4.491 1.00 0.00 C ATOM 529 OD1 ASP A 41 17.201 6.382 3.729 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.327 7.228 5.549 1.00 0.00 O ATOM 0 H ASP A 41 12.733 3.840 4.250 1.00 0.00 H new ATOM 0 HA ASP A 41 15.611 4.018 4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.755 6.084 3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.094 6.627 4.552 1.00 0.00 H new ATOM 535 N THR A 42 15.244 4.876 6.874 1.00 0.00 N ATOM 536 CA THR A 42 15.016 4.858 8.306 1.00 0.00 C ATOM 537 C THR A 42 13.887 5.811 8.699 1.00 0.00 C ATOM 538 O THR A 42 14.063 7.032 8.717 1.00 0.00 O ATOM 539 CB THR A 42 16.301 5.239 9.054 1.00 0.00 C ATOM 540 OG1 THR A 42 17.443 4.928 8.238 1.00 0.00 O ATOM 541 CG2 THR A 42 16.397 4.492 10.373 1.00 0.00 C ATOM 0 H THR A 42 16.170 5.205 6.600 1.00 0.00 H new ATOM 0 HA THR A 42 14.723 3.846 8.584 1.00 0.00 H new ATOM 0 HB THR A 42 16.278 6.309 9.263 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.263 5.173 8.716 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.315 4.777 10.887 1.00 0.00 H new ATOM 0 HG22 THR A 42 15.539 4.743 10.997 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.406 3.419 10.183 1.00 0.00 H new ATOM 549 N GLY A 43 12.717 5.244 8.974 1.00 0.00 N ATOM 550 CA GLY A 43 11.576 6.047 9.362 1.00 0.00 C ATOM 551 C GLY A 43 10.835 6.610 8.168 1.00 0.00 C ATOM 552 O GLY A 43 9.980 7.478 8.321 1.00 0.00 O ATOM 0 H GLY A 43 12.540 4.240 8.934 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.893 5.440 9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.911 6.866 9.998 1.00 0.00 H new ATOM 556 N VAL A 44 11.159 6.117 6.978 1.00 0.00 N ATOM 557 CA VAL A 44 10.516 6.589 5.759 1.00 0.00 C ATOM 558 C VAL A 44 9.912 5.425 4.983 1.00 0.00 C ATOM 559 O VAL A 44 10.575 4.414 4.741 1.00 0.00 O ATOM 560 CB VAL A 44 11.500 7.349 4.839 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.742 8.120 3.767 1.00 0.00 C ATOM 562 CG2 VAL A 44 12.390 8.288 5.643 1.00 0.00 C ATOM 0 H VAL A 44 11.862 5.392 6.832 1.00 0.00 H new ATOM 0 HA VAL A 44 9.730 7.278 6.068 1.00 0.00 H new ATOM 0 HB VAL A 44 12.140 6.614 4.352 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.451 8.648 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.158 7.425 3.163 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.073 8.839 4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.071 8.809 4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.771 9.016 6.167 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.966 7.712 6.368 1.00 0.00 H new ATOM 572 N LEU A 45 8.655 5.577 4.598 1.00 0.00 N ATOM 573 CA LEU A 45 7.944 4.556 3.843 1.00 0.00 C ATOM 574 C LEU A 45 7.630 5.078 2.447 1.00 0.00 C ATOM 575 O LEU A 45 7.453 6.281 2.262 1.00 0.00 O ATOM 576 CB LEU A 45 6.649 4.175 4.562 1.00 0.00 C ATOM 577 CG LEU A 45 6.829 3.574 5.955 1.00 0.00 C ATOM 578 CD1 LEU A 45 5.712 4.028 6.880 1.00 0.00 C ATOM 579 CD2 LEU A 45 6.865 2.056 5.878 1.00 0.00 C ATOM 0 H LEU A 45 8.100 6.409 4.799 1.00 0.00 H new ATOM 0 HA LEU A 45 8.573 3.670 3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.024 5.064 4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.106 3.461 3.943 1.00 0.00 H new ATOM 0 HG LEU A 45 7.778 3.925 6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.857 3.590 7.868 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.725 5.115 6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.752 3.705 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.994 1.644 6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.930 1.691 5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.697 1.743 5.247 1.00 0.00 H new ATOM 591 N ALA A 46 7.565 4.182 1.466 1.00 0.00 N ATOM 592 CA ALA A 46 7.278 4.586 0.094 1.00 0.00 C ATOM 593 C ALA A 46 6.772 3.418 -0.750 1.00 0.00 C ATOM 594 O ALA A 46 7.098 2.261 -0.484 1.00 0.00 O ATOM 595 CB ALA A 46 8.520 5.191 -0.538 1.00 0.00 C ATOM 0 H ALA A 46 7.706 3.180 1.594 1.00 0.00 H new ATOM 0 HA ALA A 46 6.485 5.333 0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.298 5.490 -1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.832 6.064 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.323 4.454 -0.541 1.00 0.00 H new ATOM 601 N CYS A 47 5.969 3.731 -1.764 1.00 0.00 N ATOM 602 CA CYS A 47 5.411 2.711 -2.654 1.00 0.00 C ATOM 603 C CYS A 47 5.778 3.004 -4.103 1.00 0.00 C ATOM 604 O CYS A 47 6.364 4.040 -4.399 1.00 0.00 O ATOM 605 CB CYS A 47 3.891 2.654 -2.510 1.00 0.00 C ATOM 606 SG CYS A 47 3.210 3.784 -1.254 1.00 0.00 S ATOM 0 H CYS A 47 5.688 4.685 -1.992 1.00 0.00 H new ATOM 0 HA CYS A 47 5.833 1.747 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.438 2.887 -3.474 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.600 1.634 -2.259 1.00 0.00 H new ATOM 611 N ASN A 48 5.419 2.099 -5.009 1.00 0.00 N ATOM 612 CA ASN A 48 5.727 2.275 -6.425 1.00 0.00 C ATOM 613 C ASN A 48 4.490 2.712 -7.212 1.00 0.00 C ATOM 614 O ASN A 48 3.457 2.040 -7.205 1.00 0.00 O ATOM 615 CB ASN A 48 6.313 0.988 -7.027 1.00 0.00 C ATOM 616 CG ASN A 48 5.411 -0.230 -6.886 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.567 -0.305 -5.990 1.00 0.00 O ATOM 618 ND2 ASN A 48 5.590 -1.201 -7.769 1.00 0.00 N ATOM 0 H ASN A 48 4.916 1.239 -4.789 1.00 0.00 H new ATOM 0 HA ASN A 48 6.476 3.064 -6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.518 1.155 -8.085 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.268 0.777 -6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.020 -2.045 -7.721 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.298 -1.104 -8.497 1.00 0.00 H new ATOM 625 N PRO A 49 4.587 3.848 -7.917 1.00 0.00 N ATOM 626 CA PRO A 49 3.480 4.392 -8.713 1.00 0.00 C ATOM 627 C PRO A 49 3.248 3.621 -10.014 1.00 0.00 C ATOM 628 O PRO A 49 2.386 3.983 -10.815 1.00 0.00 O ATOM 629 CB PRO A 49 3.938 5.819 -9.016 1.00 0.00 C ATOM 630 CG PRO A 49 5.424 5.745 -9.010 1.00 0.00 C ATOM 631 CD PRO A 49 5.783 4.709 -7.981 1.00 0.00 C ATOM 0 HA PRO A 49 2.531 4.330 -8.180 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.562 6.160 -9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.573 6.520 -8.266 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.805 5.467 -9.993 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.862 6.711 -8.760 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.668 4.144 -8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.001 5.164 -7.015 1.00 0.00 H new ATOM 639 N ALA A 50 4.014 2.563 -10.225 1.00 0.00 N ATOM 640 CA ALA A 50 3.872 1.765 -11.435 1.00 0.00 C ATOM 641 C ALA A 50 2.963 0.559 -11.213 1.00 0.00 C ATOM 642 O ALA A 50 2.558 -0.102 -12.171 1.00 0.00 O ATOM 643 CB ALA A 50 5.233 1.311 -11.935 1.00 0.00 C ATOM 0 H ALA A 50 4.735 2.238 -9.581 1.00 0.00 H new ATOM 0 HA ALA A 50 3.407 2.397 -12.191 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.108 0.716 -12.840 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.849 2.183 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.720 0.708 -11.168 1.00 0.00 H new ATOM 649 N ASP A 51 2.646 0.265 -9.956 1.00 0.00 N ATOM 650 CA ASP A 51 1.790 -0.882 -9.650 1.00 0.00 C ATOM 651 C ASP A 51 0.700 -0.545 -8.641 1.00 0.00 C ATOM 652 O ASP A 51 -0.180 -1.367 -8.382 1.00 0.00 O ATOM 653 CB ASP A 51 2.623 -2.050 -9.121 1.00 0.00 C ATOM 654 CG ASP A 51 2.874 -3.112 -10.167 1.00 0.00 C ATOM 655 OD1 ASP A 51 1.911 -3.794 -10.582 1.00 0.00 O ATOM 656 OD2 ASP A 51 4.039 -3.274 -10.580 1.00 0.00 O ATOM 0 H ASP A 51 2.962 0.794 -9.143 1.00 0.00 H new ATOM 0 HA ASP A 51 1.306 -1.164 -10.585 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.578 -1.673 -8.756 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.111 -2.499 -8.270 1.00 0.00 H new ATOM 661 N PHE A 52 0.751 0.653 -8.069 1.00 0.00 N ATOM 662 CA PHE A 52 -0.247 1.063 -7.085 1.00 0.00 C ATOM 663 C PHE A 52 -1.617 1.235 -7.739 1.00 0.00 C ATOM 664 O PHE A 52 -1.716 1.432 -8.953 1.00 0.00 O ATOM 665 CB PHE A 52 0.180 2.366 -6.395 1.00 0.00 C ATOM 666 CG PHE A 52 -0.272 3.617 -7.100 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.243 3.957 -8.339 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.206 4.454 -6.517 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.166 5.106 -8.984 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.620 5.607 -7.155 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.098 5.934 -8.391 1.00 0.00 C ATOM 0 H PHE A 52 1.466 1.353 -8.267 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.322 0.278 -6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.216 2.372 -5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.267 2.381 -6.314 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.974 3.315 -8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.617 4.203 -5.550 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.242 5.357 -9.952 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.350 6.251 -6.688 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.418 6.835 -8.893 1.00 0.00 H new ATOM 681 N SER A 53 -2.667 1.151 -6.939 1.00 0.00 N ATOM 682 CA SER A 53 -4.022 1.307 -7.440 1.00 0.00 C ATOM 683 C SER A 53 -4.909 1.948 -6.380 1.00 0.00 C ATOM 684 O SER A 53 -5.428 1.266 -5.494 1.00 0.00 O ATOM 685 CB SER A 53 -4.592 -0.045 -7.865 1.00 0.00 C ATOM 686 OG SER A 53 -3.766 -0.659 -8.844 1.00 0.00 O ATOM 0 H SER A 53 -2.606 0.975 -5.936 1.00 0.00 H new ATOM 0 HA SER A 53 -3.996 1.961 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.678 -0.697 -6.996 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.597 0.089 -8.264 1.00 0.00 H new ATOM 0 HG SER A 53 -4.150 -1.524 -9.100 1.00 0.00 H new ATOM 692 N SER A 54 -5.050 3.262 -6.467 1.00 0.00 N ATOM 693 CA SER A 54 -5.865 4.010 -5.528 1.00 0.00 C ATOM 694 C SER A 54 -7.345 3.690 -5.722 1.00 0.00 C ATOM 695 O SER A 54 -7.891 3.858 -6.815 1.00 0.00 O ATOM 696 CB SER A 54 -5.617 5.504 -5.715 1.00 0.00 C ATOM 697 OG SER A 54 -4.980 5.757 -6.959 1.00 0.00 O ATOM 0 H SER A 54 -4.606 3.834 -7.185 1.00 0.00 H new ATOM 0 HA SER A 54 -5.588 3.723 -4.514 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.563 6.043 -5.670 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.997 5.879 -4.901 1.00 0.00 H new ATOM 0 HG SER A 54 -4.015 5.615 -6.867 1.00 0.00 H new ATOM 703 N VAL A 55 -7.982 3.228 -4.663 1.00 0.00 N ATOM 704 CA VAL A 55 -9.390 2.883 -4.712 1.00 0.00 C ATOM 705 C VAL A 55 -10.211 3.893 -3.917 1.00 0.00 C ATOM 706 O VAL A 55 -9.831 4.293 -2.817 1.00 0.00 O ATOM 707 CB VAL A 55 -9.633 1.452 -4.177 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.053 1.284 -2.777 1.00 0.00 C ATOM 709 CG2 VAL A 55 -11.116 1.106 -4.198 1.00 0.00 C ATOM 0 H VAL A 55 -7.544 3.082 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.708 2.912 -5.754 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.117 0.756 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.238 0.269 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.979 1.468 -2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.526 1.994 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.259 0.095 -3.817 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.663 1.811 -3.572 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -11.489 1.165 -5.221 1.00 0.00 H new ATOM 719 N THR A 56 -11.317 4.331 -4.486 1.00 0.00 N ATOM 720 CA THR A 56 -12.167 5.288 -3.814 1.00 0.00 C ATOM 721 C THR A 56 -13.239 4.569 -3.005 1.00 0.00 C ATOM 722 O THR A 56 -13.740 3.520 -3.415 1.00 0.00 O ATOM 723 CB THR A 56 -12.818 6.282 -4.807 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.442 7.358 -4.093 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.847 5.596 -5.699 1.00 0.00 C ATOM 0 H THR A 56 -11.645 4.040 -5.407 1.00 0.00 H new ATOM 0 HA THR A 56 -11.537 5.866 -3.138 1.00 0.00 H new ATOM 0 HB THR A 56 -12.025 6.675 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.136 7.354 -3.162 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.281 6.326 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.362 4.806 -6.273 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.634 5.164 -5.081 1.00 0.00 H new ATOM 733 N ALA A 57 -13.555 5.111 -1.840 1.00 0.00 N ATOM 734 CA ALA A 57 -14.575 4.527 -0.991 1.00 0.00 C ATOM 735 C ALA A 57 -15.949 4.817 -1.576 1.00 0.00 C ATOM 736 O ALA A 57 -16.322 5.980 -1.756 1.00 0.00 O ATOM 737 CB ALA A 57 -14.465 5.062 0.429 1.00 0.00 C ATOM 0 H ALA A 57 -13.120 5.953 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.429 3.448 -0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.240 4.611 1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.485 4.815 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.592 6.145 0.421 1.00 0.00 H new ATOM 743 N ASP A 58 -16.682 3.756 -1.883 1.00 0.00 N ATOM 744 CA ASP A 58 -18.011 3.876 -2.470 1.00 0.00 C ATOM 745 C ASP A 58 -19.010 4.442 -1.466 1.00 0.00 C ATOM 746 O ASP A 58 -18.662 4.720 -0.317 1.00 0.00 O ATOM 747 CB ASP A 58 -18.488 2.513 -3.004 1.00 0.00 C ATOM 748 CG ASP A 58 -18.743 1.469 -1.922 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.403 1.707 -0.744 1.00 0.00 O ATOM 750 OD2 ASP A 58 -19.291 0.398 -2.253 1.00 0.00 O ATOM 0 H ASP A 58 -16.376 2.794 -1.734 1.00 0.00 H new ATOM 0 HA ASP A 58 -17.949 4.574 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.405 2.660 -3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.741 2.126 -3.697 1.00 0.00 H new ATOM 755 N ALA A 59 -20.259 4.588 -1.895 1.00 0.00 N ATOM 756 CA ALA A 59 -21.308 5.136 -1.036 1.00 0.00 C ATOM 757 C ALA A 59 -21.640 4.204 0.126 1.00 0.00 C ATOM 758 O ALA A 59 -22.419 4.551 1.015 1.00 0.00 O ATOM 759 CB ALA A 59 -22.554 5.434 -1.848 1.00 0.00 C ATOM 0 H ALA A 59 -20.572 4.335 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 59 -20.929 6.065 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.325 5.841 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.317 6.160 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -22.917 4.515 -2.309 1.00 0.00 H new ATOM 765 N ASN A 60 -21.046 3.021 0.116 1.00 0.00 N ATOM 766 CA ASN A 60 -21.260 2.047 1.174 1.00 0.00 C ATOM 767 C ASN A 60 -20.179 2.203 2.235 1.00 0.00 C ATOM 768 O ASN A 60 -20.220 1.571 3.292 1.00 0.00 O ATOM 769 CB ASN A 60 -21.246 0.622 0.615 1.00 0.00 C ATOM 770 CG ASN A 60 -22.321 0.389 -0.428 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.512 0.382 -0.122 1.00 0.00 O ATOM 772 ND2 ASN A 60 -21.907 0.197 -1.672 1.00 0.00 N ATOM 0 H ASN A 60 -20.409 2.711 -0.618 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.238 2.226 1.621 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.270 0.419 0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.381 -0.086 1.433 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -22.586 0.036 -2.416 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -20.910 0.210 -1.885 1.00 0.00 H new ATOM 779 N GLY A 61 -19.214 3.067 1.943 1.00 0.00 N ATOM 780 CA GLY A 61 -18.122 3.313 2.858 1.00 0.00 C ATOM 781 C GLY A 61 -17.106 2.196 2.823 1.00 0.00 C ATOM 782 O GLY A 61 -16.502 1.863 3.844 1.00 0.00 O ATOM 0 H GLY A 61 -19.171 3.606 1.078 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.637 4.255 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.512 3.420 3.870 1.00 0.00 H new ATOM 786 N SER A 62 -16.916 1.622 1.643 1.00 0.00 N ATOM 787 CA SER A 62 -15.979 0.522 1.469 1.00 0.00 C ATOM 788 C SER A 62 -15.064 0.747 0.267 1.00 0.00 C ATOM 789 O SER A 62 -15.436 1.422 -0.695 1.00 0.00 O ATOM 790 CB SER A 62 -16.758 -0.784 1.307 1.00 0.00 C ATOM 791 OG SER A 62 -18.061 -0.539 0.796 1.00 0.00 O ATOM 0 H SER A 62 -17.400 1.901 0.790 1.00 0.00 H new ATOM 0 HA SER A 62 -15.345 0.466 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.219 -1.452 0.635 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.830 -1.291 2.269 1.00 0.00 H new ATOM 0 HG SER A 62 -18.024 0.190 0.142 1.00 0.00 H new ATOM 797 N ALA A 63 -13.866 0.189 0.336 1.00 0.00 N ATOM 798 CA ALA A 63 -12.900 0.316 -0.738 1.00 0.00 C ATOM 799 C ALA A 63 -12.080 -0.963 -0.871 1.00 0.00 C ATOM 800 O ALA A 63 -11.351 -1.345 0.046 1.00 0.00 O ATOM 801 CB ALA A 63 -11.990 1.512 -0.491 1.00 0.00 C ATOM 0 H ALA A 63 -13.540 -0.360 1.132 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.437 0.477 -1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.270 1.595 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.589 2.421 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.459 1.377 0.451 1.00 0.00 H new ATOM 807 N SER A 64 -12.221 -1.635 -2.003 1.00 0.00 N ATOM 808 CA SER A 64 -11.488 -2.866 -2.251 1.00 0.00 C ATOM 809 C SER A 64 -10.561 -2.698 -3.451 1.00 0.00 C ATOM 810 O SER A 64 -10.930 -2.087 -4.453 1.00 0.00 O ATOM 811 CB SER A 64 -12.456 -4.033 -2.485 1.00 0.00 C ATOM 812 OG SER A 64 -11.879 -5.271 -2.083 1.00 0.00 O ATOM 0 H SER A 64 -12.836 -1.348 -2.764 1.00 0.00 H new ATOM 0 HA SER A 64 -10.884 -3.090 -1.372 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.378 -3.861 -1.929 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.724 -4.080 -3.540 1.00 0.00 H new ATOM 0 HG SER A 64 -11.028 -5.103 -1.627 1.00 0.00 H new ATOM 818 N THR A 65 -9.356 -3.229 -3.342 1.00 0.00 N ATOM 819 CA THR A 65 -8.384 -3.131 -4.416 1.00 0.00 C ATOM 820 C THR A 65 -7.403 -4.302 -4.350 1.00 0.00 C ATOM 821 O THR A 65 -7.386 -5.051 -3.370 1.00 0.00 O ATOM 822 CB THR A 65 -7.627 -1.784 -4.350 1.00 0.00 C ATOM 823 OG1 THR A 65 -6.928 -1.539 -5.575 1.00 0.00 O ATOM 824 CG2 THR A 65 -6.647 -1.760 -3.188 1.00 0.00 C ATOM 0 H THR A 65 -9.027 -3.733 -2.519 1.00 0.00 H new ATOM 0 HA THR A 65 -8.915 -3.174 -5.367 1.00 0.00 H new ATOM 0 HB THR A 65 -8.366 -0.998 -4.196 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.477 -0.670 -5.526 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.130 -0.801 -3.168 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.188 -1.900 -2.252 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.919 -2.562 -3.310 1.00 0.00 H new ATOM 832 N SER A 66 -6.613 -4.472 -5.397 1.00 0.00 N ATOM 833 CA SER A 66 -5.643 -5.550 -5.456 1.00 0.00 C ATOM 834 C SER A 66 -4.321 -5.044 -6.026 1.00 0.00 C ATOM 835 O SER A 66 -4.301 -4.385 -7.066 1.00 0.00 O ATOM 836 CB SER A 66 -6.197 -6.688 -6.308 1.00 0.00 C ATOM 837 OG SER A 66 -7.496 -7.055 -5.872 1.00 0.00 O ATOM 0 H SER A 66 -6.626 -3.872 -6.222 1.00 0.00 H new ATOM 0 HA SER A 66 -5.456 -5.921 -4.448 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.232 -6.382 -7.354 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.532 -7.549 -6.250 1.00 0.00 H new ATOM 0 HG SER A 66 -7.835 -7.785 -6.431 1.00 0.00 H new ATOM 843 N LEU A 67 -3.221 -5.345 -5.342 1.00 0.00 N ATOM 844 CA LEU A 67 -1.901 -4.894 -5.778 1.00 0.00 C ATOM 845 C LEU A 67 -0.970 -6.070 -6.021 1.00 0.00 C ATOM 846 O LEU A 67 -0.978 -7.046 -5.274 1.00 0.00 O ATOM 847 CB LEU A 67 -1.262 -3.974 -4.726 1.00 0.00 C ATOM 848 CG LEU A 67 -1.966 -2.636 -4.472 1.00 0.00 C ATOM 849 CD1 LEU A 67 -2.390 -1.990 -5.775 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.158 -2.822 -3.551 1.00 0.00 C ATOM 0 H LEU A 67 -3.216 -5.898 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.043 -4.346 -6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.211 -4.518 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.236 -3.768 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.256 -1.970 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.887 -1.042 -5.567 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.512 -1.810 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.077 -2.652 -6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.643 -1.860 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.868 -3.511 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.821 -3.229 -2.597 1.00 0.00 H new ATOM 862 N THR A 68 -0.162 -5.964 -7.056 1.00 0.00 N ATOM 863 CA THR A 68 0.791 -7.005 -7.383 1.00 0.00 C ATOM 864 C THR A 68 2.142 -6.667 -6.768 1.00 0.00 C ATOM 865 O THR A 68 2.887 -5.845 -7.300 1.00 0.00 O ATOM 866 CB THR A 68 0.940 -7.164 -8.907 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.326 -6.943 -9.543 1.00 0.00 O ATOM 868 CG2 THR A 68 1.448 -8.553 -9.260 1.00 0.00 C ATOM 0 H THR A 68 -0.146 -5.163 -7.688 1.00 0.00 H new ATOM 0 HA THR A 68 0.424 -7.948 -6.977 1.00 0.00 H new ATOM 0 HB THR A 68 1.664 -6.429 -9.259 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.227 -7.043 -10.513 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.545 -8.641 -10.342 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.420 -8.714 -8.794 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.743 -9.301 -8.897 1.00 0.00 H new ATOM 876 N VAL A 69 2.440 -7.289 -5.638 1.00 0.00 N ATOM 877 CA VAL A 69 3.690 -7.037 -4.929 1.00 0.00 C ATOM 878 C VAL A 69 4.904 -7.559 -5.708 1.00 0.00 C ATOM 879 O VAL A 69 5.026 -8.755 -5.985 1.00 0.00 O ATOM 880 CB VAL A 69 3.669 -7.641 -3.499 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.345 -9.125 -3.522 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.988 -7.386 -2.787 1.00 0.00 C ATOM 0 H VAL A 69 1.833 -7.975 -5.189 1.00 0.00 H new ATOM 0 HA VAL A 69 3.785 -5.955 -4.842 1.00 0.00 H new ATOM 0 HB VAL A 69 2.875 -7.142 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.339 -9.512 -2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.364 -9.276 -3.973 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.098 -9.653 -4.107 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.951 -7.818 -1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.800 -7.845 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.160 -6.312 -2.712 1.00 0.00 H new ATOM 892 N ARG A 70 5.781 -6.637 -6.089 1.00 0.00 N ATOM 893 CA ARG A 70 6.997 -6.978 -6.818 1.00 0.00 C ATOM 894 C ARG A 70 8.117 -7.291 -5.832 1.00 0.00 C ATOM 895 O ARG A 70 8.005 -6.977 -4.644 1.00 0.00 O ATOM 896 CB ARG A 70 7.423 -5.823 -7.736 1.00 0.00 C ATOM 897 CG ARG A 70 6.304 -5.292 -8.625 1.00 0.00 C ATOM 898 CD ARG A 70 5.885 -6.300 -9.686 1.00 0.00 C ATOM 899 NE ARG A 70 4.663 -5.890 -10.377 1.00 0.00 N ATOM 900 CZ ARG A 70 3.903 -6.701 -11.110 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.281 -7.955 -11.331 1.00 0.00 N ATOM 902 NH2 ARG A 70 2.770 -6.243 -11.629 1.00 0.00 N ATOM 0 H ARG A 70 5.671 -5.640 -5.903 1.00 0.00 H new ATOM 0 HA ARG A 70 6.797 -7.855 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.804 -5.007 -7.123 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.246 -6.159 -8.367 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.442 -5.037 -8.008 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.633 -4.372 -9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.690 -6.419 -10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.729 -7.273 -9.221 1.00 0.00 H new ATOM 0 HE ARG A 70 4.373 -4.916 -10.291 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.157 -8.300 -10.938 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.695 -8.573 -11.893 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.488 -5.277 -11.465 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.182 -6.858 -12.192 1.00 0.00 H new ATOM 916 N ARG A 71 9.188 -7.905 -6.323 1.00 0.00 N ATOM 917 CA ARG A 71 10.329 -8.256 -5.479 1.00 0.00 C ATOM 918 C ARG A 71 11.167 -7.010 -5.186 1.00 0.00 C ATOM 919 O ARG A 71 11.615 -6.793 -4.062 1.00 0.00 O ATOM 920 CB ARG A 71 11.187 -9.331 -6.158 1.00 0.00 C ATOM 921 CG ARG A 71 12.164 -10.026 -5.219 1.00 0.00 C ATOM 922 CD ARG A 71 11.470 -11.054 -4.338 1.00 0.00 C ATOM 923 NE ARG A 71 10.994 -12.208 -5.106 1.00 0.00 N ATOM 924 CZ ARG A 71 10.910 -13.452 -4.623 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.284 -13.716 -3.380 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.456 -14.434 -5.398 1.00 0.00 N ATOM 0 H ARG A 71 9.292 -8.171 -7.302 1.00 0.00 H new ATOM 0 HA ARG A 71 9.957 -8.658 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.530 -10.079 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.746 -8.874 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.943 -10.515 -5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.656 -9.283 -4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.160 -11.393 -3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.627 -10.585 -3.830 1.00 0.00 H new ATOM 0 HE ARG A 71 10.708 -12.052 -6.073 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.639 -12.968 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.217 -14.667 -3.018 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.173 -14.237 -6.358 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.391 -15.384 -5.032 1.00 0.00 H new ATOM 940 N SER A 72 11.371 -6.202 -6.213 1.00 0.00 N ATOM 941 CA SER A 72 12.130 -4.965 -6.095 1.00 0.00 C ATOM 942 C SER A 72 11.351 -3.845 -6.766 1.00 0.00 C ATOM 943 O SER A 72 10.827 -4.027 -7.868 1.00 0.00 O ATOM 944 CB SER A 72 13.512 -5.117 -6.747 1.00 0.00 C ATOM 945 OG SER A 72 14.142 -6.329 -6.350 1.00 0.00 O ATOM 0 H SER A 72 11.016 -6.383 -7.152 1.00 0.00 H new ATOM 0 HA SER A 72 12.279 -4.729 -5.041 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.408 -5.097 -7.832 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.141 -4.271 -6.471 1.00 0.00 H new ATOM 0 HG SER A 72 14.670 -6.173 -5.539 1.00 0.00 H new ATOM 951 N PHE A 73 11.254 -2.705 -6.105 1.00 0.00 N ATOM 952 CA PHE A 73 10.517 -1.585 -6.660 1.00 0.00 C ATOM 953 C PHE A 73 11.092 -0.252 -6.200 1.00 0.00 C ATOM 954 O PHE A 73 11.864 -0.188 -5.241 1.00 0.00 O ATOM 955 CB PHE A 73 9.034 -1.680 -6.272 1.00 0.00 C ATOM 956 CG PHE A 73 8.783 -1.588 -4.791 1.00 0.00 C ATOM 957 CD1 PHE A 73 8.963 -2.694 -3.974 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.371 -0.395 -4.215 1.00 0.00 C ATOM 959 CE1 PHE A 73 8.738 -2.614 -2.616 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.145 -0.310 -2.854 1.00 0.00 C ATOM 961 CZ PHE A 73 8.329 -1.420 -2.057 1.00 0.00 C ATOM 0 H PHE A 73 11.673 -2.531 -5.191 1.00 0.00 H new ATOM 0 HA PHE A 73 10.610 -1.633 -7.745 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.486 -0.882 -6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.632 -2.624 -6.641 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.284 -3.630 -4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.225 0.476 -4.836 1.00 0.00 H new ATOM 0 HE1 PHE A 73 8.881 -3.483 -1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.825 0.624 -2.416 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.153 -1.355 -0.993 1.00 0.00 H new ATOM 971 N GLU A 74 10.715 0.805 -6.904 1.00 0.00 N ATOM 972 CA GLU A 74 11.157 2.153 -6.589 1.00 0.00 C ATOM 973 C GLU A 74 10.198 2.780 -5.582 1.00 0.00 C ATOM 974 O GLU A 74 8.983 2.726 -5.757 1.00 0.00 O ATOM 975 CB GLU A 74 11.217 3.001 -7.864 1.00 0.00 C ATOM 976 CG GLU A 74 11.794 2.266 -9.074 1.00 0.00 C ATOM 977 CD GLU A 74 10.729 1.645 -9.957 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.938 0.813 -9.457 1.00 0.00 O ATOM 979 OE2 GLU A 74 10.669 1.983 -11.157 1.00 0.00 O ATOM 0 H GLU A 74 10.093 0.751 -7.711 1.00 0.00 H new ATOM 0 HA GLU A 74 12.156 2.112 -6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.212 3.345 -8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.820 3.888 -7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.387 2.963 -9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.471 1.485 -8.728 1.00 0.00 H new ATOM 986 N GLY A 75 10.745 3.374 -4.534 1.00 0.00 N ATOM 987 CA GLY A 75 9.916 3.979 -3.515 1.00 0.00 C ATOM 988 C GLY A 75 9.603 5.433 -3.806 1.00 0.00 C ATOM 989 O GLY A 75 10.510 6.238 -4.043 1.00 0.00 O ATOM 0 H GLY A 75 11.749 3.448 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.984 3.420 -3.431 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.420 3.905 -2.551 1.00 0.00 H new ATOM 993 N PHE A 76 8.321 5.774 -3.776 1.00 0.00 N ATOM 994 CA PHE A 76 7.876 7.134 -4.039 1.00 0.00 C ATOM 995 C PHE A 76 7.011 7.620 -2.889 1.00 0.00 C ATOM 996 O PHE A 76 6.266 6.837 -2.293 1.00 0.00 O ATOM 997 CB PHE A 76 7.076 7.207 -5.346 1.00 0.00 C ATOM 998 CG PHE A 76 7.919 7.271 -6.588 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.672 6.184 -6.995 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.945 8.422 -7.357 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.436 6.243 -8.145 1.00 0.00 C ATOM 1002 CE2 PHE A 76 8.704 8.489 -8.509 1.00 0.00 C ATOM 1003 CZ PHE A 76 9.451 7.398 -8.905 1.00 0.00 C ATOM 0 H PHE A 76 7.566 5.120 -3.570 1.00 0.00 H new ATOM 0 HA PHE A 76 8.756 7.770 -4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.425 6.335 -5.408 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.431 8.085 -5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.663 5.278 -6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.364 9.279 -7.052 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.021 5.388 -8.450 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.713 9.394 -9.099 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.045 7.446 -9.806 1.00 0.00 H new ATOM 1013 N LEU A 77 7.122 8.896 -2.567 1.00 0.00 N ATOM 1014 CA LEU A 77 6.340 9.476 -1.489 1.00 0.00 C ATOM 1015 C LEU A 77 4.924 9.776 -1.971 1.00 0.00 C ATOM 1016 O LEU A 77 4.628 9.643 -3.158 1.00 0.00 O ATOM 1017 CB LEU A 77 7.012 10.751 -0.974 1.00 0.00 C ATOM 1018 CG LEU A 77 8.488 10.605 -0.601 1.00 0.00 C ATOM 1019 CD1 LEU A 77 9.061 11.946 -0.183 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.668 9.581 0.508 1.00 0.00 C ATOM 0 H LEU A 77 7.747 9.551 -3.037 1.00 0.00 H new ATOM 0 HA LEU A 77 6.284 8.760 -0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.922 11.524 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.466 11.102 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 77 9.029 10.252 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.112 11.827 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.971 12.653 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.512 12.323 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.726 9.495 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.113 9.899 1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.294 8.613 0.174 1.00 0.00 H new ATOM 1032 N PHE A 78 4.064 10.203 -1.056 1.00 0.00 N ATOM 1033 CA PHE A 78 2.674 10.508 -1.386 1.00 0.00 C ATOM 1034 C PHE A 78 2.586 11.665 -2.376 1.00 0.00 C ATOM 1035 O PHE A 78 1.620 11.781 -3.130 1.00 0.00 O ATOM 1036 CB PHE A 78 1.890 10.849 -0.115 1.00 0.00 C ATOM 1037 CG PHE A 78 0.785 9.878 0.197 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.055 8.672 0.823 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.527 10.177 -0.131 1.00 0.00 C ATOM 1040 CE1 PHE A 78 0.037 7.783 1.114 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.548 9.295 0.158 1.00 0.00 C ATOM 1042 CZ PHE A 78 -1.266 8.093 0.780 1.00 0.00 C ATOM 0 H PHE A 78 4.304 10.347 -0.075 1.00 0.00 H new ATOM 0 HA PHE A 78 2.237 9.624 -1.851 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.580 10.882 0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.465 11.847 -0.219 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.072 8.423 1.087 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.754 11.113 -0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.261 6.846 1.603 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.567 9.543 -0.101 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.063 7.399 1.004 1.00 0.00 H new ATOM 1052 N ASP A 79 3.606 12.515 -2.373 1.00 0.00 N ATOM 1053 CA ASP A 79 3.653 13.669 -3.266 1.00 0.00 C ATOM 1054 C ASP A 79 4.168 13.282 -4.652 1.00 0.00 C ATOM 1055 O ASP A 79 4.040 14.050 -5.606 1.00 0.00 O ATOM 1056 CB ASP A 79 4.530 14.768 -2.671 1.00 0.00 C ATOM 1057 CG ASP A 79 6.000 14.561 -2.964 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.554 13.513 -2.575 1.00 0.00 O ATOM 1059 OD2 ASP A 79 6.614 15.452 -3.585 1.00 0.00 O ATOM 0 H ASP A 79 4.416 12.427 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 79 2.635 14.044 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.216 15.733 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.380 14.804 -1.592 1.00 0.00 H new ATOM 1064 N GLY A 80 4.750 12.095 -4.757 1.00 0.00 N ATOM 1065 CA GLY A 80 5.259 11.630 -6.035 1.00 0.00 C ATOM 1066 C GLY A 80 6.764 11.745 -6.170 1.00 0.00 C ATOM 1067 O GLY A 80 7.310 11.546 -7.257 1.00 0.00 O ATOM 0 H GLY A 80 4.879 11.445 -3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.969 10.588 -6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.787 12.202 -6.834 1.00 0.00 H new ATOM 1071 N THR A 81 7.442 12.073 -5.084 1.00 0.00 N ATOM 1072 CA THR A 81 8.894 12.197 -5.108 1.00 0.00 C ATOM 1073 C THR A 81 9.569 10.866 -4.783 1.00 0.00 C ATOM 1074 O THR A 81 9.207 10.197 -3.816 1.00 0.00 O ATOM 1075 CB THR A 81 9.375 13.278 -4.122 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.859 14.558 -4.522 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.894 13.346 -4.069 1.00 0.00 C ATOM 0 H THR A 81 7.015 12.258 -4.176 1.00 0.00 H new ATOM 0 HA THR A 81 9.175 12.493 -6.119 1.00 0.00 H new ATOM 0 HB THR A 81 9.008 13.016 -3.130 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.253 14.897 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.199 14.119 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.290 12.383 -3.746 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.282 13.585 -5.059 1.00 0.00 H new ATOM 1085 N ARG A 82 10.539 10.478 -5.604 1.00 0.00 N ATOM 1086 CA ARG A 82 11.267 9.239 -5.385 1.00 0.00 C ATOM 1087 C ARG A 82 12.267 9.416 -4.250 1.00 0.00 C ATOM 1088 O ARG A 82 13.103 10.321 -4.283 1.00 0.00 O ATOM 1089 CB ARG A 82 12.006 8.810 -6.655 1.00 0.00 C ATOM 1090 CG ARG A 82 12.645 7.433 -6.557 1.00 0.00 C ATOM 1091 CD ARG A 82 13.642 7.197 -7.683 1.00 0.00 C ATOM 1092 NE ARG A 82 13.028 7.342 -9.008 1.00 0.00 N ATOM 1093 CZ ARG A 82 13.071 6.410 -9.960 1.00 0.00 C ATOM 1094 NH1 ARG A 82 13.682 5.252 -9.743 1.00 0.00 N ATOM 1095 NH2 ARG A 82 12.494 6.637 -11.135 1.00 0.00 N ATOM 0 H ARG A 82 10.837 11.004 -6.425 1.00 0.00 H new ATOM 0 HA ARG A 82 10.548 8.464 -5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.307 8.817 -7.491 1.00 0.00 H new ATOM 0 HB3 ARG A 82 12.780 9.544 -6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.150 7.333 -5.596 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.869 6.668 -6.591 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.468 7.902 -7.588 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.064 6.197 -7.588 1.00 0.00 H new ATOM 0 HE ARG A 82 12.537 8.212 -9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.124 5.069 -8.842 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.710 4.545 -10.477 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.019 7.523 -11.307 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.526 5.925 -11.865 1.00 0.00 H new ATOM 1109 N TRP A 83 12.177 8.563 -3.247 1.00 0.00 N ATOM 1110 CA TRP A 83 13.083 8.639 -2.111 1.00 0.00 C ATOM 1111 C TRP A 83 14.264 7.701 -2.315 1.00 0.00 C ATOM 1112 O TRP A 83 15.398 8.029 -1.967 1.00 0.00 O ATOM 1113 CB TRP A 83 12.349 8.295 -0.812 1.00 0.00 C ATOM 1114 CG TRP A 83 13.111 8.677 0.423 1.00 0.00 C ATOM 1115 CD1 TRP A 83 13.888 7.863 1.195 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.177 9.975 1.023 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.424 8.573 2.239 1.00 0.00 N ATOM 1118 CE2 TRP A 83 14.003 9.871 2.158 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.617 11.216 0.713 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 14.279 10.957 2.981 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.892 12.294 1.531 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.716 12.158 2.655 1.00 0.00 C ATOM 0 H TRP A 83 11.489 7.811 -3.193 1.00 0.00 H new ATOM 0 HA TRP A 83 13.456 9.660 -2.035 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.383 8.800 -0.805 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.149 7.224 -0.789 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.056 6.812 1.011 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.038 8.194 2.960 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.980 11.331 -0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.916 10.855 3.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 12.464 13.258 1.300 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.910 13.020 3.276 1.00 0.00 H new ATOM 1133 N GLY A 84 13.992 6.537 -2.891 1.00 0.00 N ATOM 1134 CA GLY A 84 15.032 5.562 -3.136 1.00 0.00 C ATOM 1135 C GLY A 84 14.463 4.264 -3.668 1.00 0.00 C ATOM 1136 O GLY A 84 13.310 4.218 -4.092 1.00 0.00 O ATOM 0 H GLY A 84 13.061 6.251 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.749 5.966 -3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.577 5.370 -2.212 1.00 0.00 H new ATOM 1140 N THR A 85 15.260 3.214 -3.652 1.00 0.00 N ATOM 1141 CA THR A 85 14.816 1.918 -4.133 1.00 0.00 C ATOM 1142 C THR A 85 14.561 0.965 -2.971 1.00 0.00 C ATOM 1143 O THR A 85 15.317 0.947 -1.997 1.00 0.00 O ATOM 1144 CB THR A 85 15.861 1.293 -5.075 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.625 2.327 -5.710 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.194 0.432 -6.136 1.00 0.00 C ATOM 0 H THR A 85 16.221 3.232 -3.310 1.00 0.00 H new ATOM 0 HA THR A 85 13.887 2.076 -4.681 1.00 0.00 H new ATOM 0 HB THR A 85 16.520 0.661 -4.479 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.289 1.923 -6.307 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.955 0.003 -6.788 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.634 -0.370 -5.655 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.514 1.045 -6.727 1.00 0.00 H new ATOM 1154 N VAL A 86 13.494 0.188 -3.066 1.00 0.00 N ATOM 1155 CA VAL A 86 13.158 -0.765 -2.025 1.00 0.00 C ATOM 1156 C VAL A 86 13.316 -2.181 -2.553 1.00 0.00 C ATOM 1157 O VAL A 86 12.632 -2.585 -3.496 1.00 0.00 O ATOM 1158 CB VAL A 86 11.719 -0.584 -1.504 1.00 0.00 C ATOM 1159 CG1 VAL A 86 11.531 -1.343 -0.202 1.00 0.00 C ATOM 1160 CG2 VAL A 86 11.389 0.887 -1.321 1.00 0.00 C ATOM 0 H VAL A 86 12.847 0.200 -3.854 1.00 0.00 H new ATOM 0 HA VAL A 86 13.841 -0.585 -1.195 1.00 0.00 H new ATOM 0 HB VAL A 86 11.032 -0.991 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.510 -1.206 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.718 -2.404 -0.369 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.230 -0.964 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.368 0.988 -0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.079 1.328 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.482 1.402 -2.277 1.00 0.00 H new ATOM 1170 N ASP A 87 14.235 -2.921 -1.966 1.00 0.00 N ATOM 1171 CA ASP A 87 14.475 -4.289 -2.384 1.00 0.00 C ATOM 1172 C ASP A 87 13.946 -5.266 -1.346 1.00 0.00 C ATOM 1173 O ASP A 87 14.489 -5.377 -0.247 1.00 0.00 O ATOM 1174 CB ASP A 87 15.964 -4.530 -2.625 1.00 0.00 C ATOM 1175 CG ASP A 87 16.247 -5.959 -3.028 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.748 -6.383 -4.091 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.962 -6.666 -2.284 1.00 0.00 O ATOM 0 H ASP A 87 14.827 -2.600 -1.200 1.00 0.00 H new ATOM 0 HA ASP A 87 13.943 -4.454 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 87 16.319 -3.856 -3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.521 -4.291 -1.719 1.00 0.00 H new ATOM 1182 N CYS A 88 12.883 -5.970 -1.701 1.00 0.00 N ATOM 1183 CA CYS A 88 12.278 -6.938 -0.803 1.00 0.00 C ATOM 1184 C CYS A 88 12.782 -8.343 -1.120 1.00 0.00 C ATOM 1185 O CYS A 88 12.171 -9.339 -0.726 1.00 0.00 O ATOM 1186 CB CYS A 88 10.747 -6.870 -0.898 1.00 0.00 C ATOM 1187 SG CYS A 88 10.050 -5.266 -0.370 1.00 0.00 S ATOM 0 H CYS A 88 12.421 -5.888 -2.607 1.00 0.00 H new ATOM 0 HA CYS A 88 12.566 -6.696 0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.446 -7.066 -1.927 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.318 -7.662 -0.285 1.00 0.00 H new ATOM 1192 N THR A 89 13.900 -8.422 -1.841 1.00 0.00 N ATOM 1193 CA THR A 89 14.488 -9.709 -2.176 1.00 0.00 C ATOM 1194 C THR A 89 15.267 -10.242 -0.984 1.00 0.00 C ATOM 1195 O THR A 89 15.149 -11.410 -0.615 1.00 0.00 O ATOM 1196 CB THR A 89 15.440 -9.620 -3.385 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.884 -8.779 -4.404 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.712 -11.003 -3.960 1.00 0.00 C ATOM 0 H THR A 89 14.410 -7.615 -2.200 1.00 0.00 H new ATOM 0 HA THR A 89 13.668 -10.378 -2.436 1.00 0.00 H new ATOM 0 HB THR A 89 16.379 -9.189 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.159 -7.851 -4.249 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.386 -10.917 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.171 -11.631 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.774 -11.453 -4.284 1.00 0.00 H new ATOM 1206 N THR A 90 16.063 -9.370 -0.384 1.00 0.00 N ATOM 1207 CA THR A 90 16.860 -9.738 0.773 1.00 0.00 C ATOM 1208 C THR A 90 16.256 -9.152 2.049 1.00 0.00 C ATOM 1209 O THR A 90 16.688 -9.466 3.159 1.00 0.00 O ATOM 1210 CB THR A 90 18.326 -9.270 0.613 1.00 0.00 C ATOM 1211 OG1 THR A 90 19.185 -10.018 1.483 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.463 -7.783 0.912 1.00 0.00 C ATOM 0 H THR A 90 16.173 -8.401 -0.681 1.00 0.00 H new ATOM 0 HA THR A 90 16.856 -10.825 0.849 1.00 0.00 H new ATOM 0 HB THR A 90 18.621 -9.444 -0.422 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.739 -10.154 2.345 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.504 -7.482 0.792 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.839 -7.214 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 90 18.145 -7.587 1.936 1.00 0.00 H new ATOM 1220 N ALA A 91 15.242 -8.309 1.883 1.00 0.00 N ATOM 1221 CA ALA A 91 14.580 -7.676 3.016 1.00 0.00 C ATOM 1222 C ALA A 91 13.095 -8.019 3.032 1.00 0.00 C ATOM 1223 O ALA A 91 12.606 -8.754 2.168 1.00 0.00 O ATOM 1224 CB ALA A 91 14.783 -6.168 2.968 1.00 0.00 C ATOM 0 H ALA A 91 14.861 -8.049 0.973 1.00 0.00 H new ATOM 0 HA ALA A 91 15.025 -8.057 3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.284 -5.706 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.849 -5.943 3.007 1.00 0.00 H new ATOM 0 HB3 ALA A 91 14.362 -5.773 2.043 1.00 0.00 H new ATOM 1230 N ALA A 92 12.378 -7.487 4.014 1.00 0.00 N ATOM 1231 CA ALA A 92 10.949 -7.729 4.136 1.00 0.00 C ATOM 1232 C ALA A 92 10.170 -6.712 3.316 1.00 0.00 C ATOM 1233 O ALA A 92 10.734 -5.730 2.834 1.00 0.00 O ATOM 1234 CB ALA A 92 10.526 -7.671 5.596 1.00 0.00 C ATOM 0 H ALA A 92 12.766 -6.883 4.739 1.00 0.00 H new ATOM 0 HA ALA A 92 10.730 -8.725 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.454 -7.854 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.065 -8.431 6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.756 -6.686 6.002 1.00 0.00 H new ATOM 1240 N CYS A 93 8.880 -6.945 3.167 1.00 0.00 N ATOM 1241 CA CYS A 93 8.022 -6.055 2.401 1.00 0.00 C ATOM 1242 C CYS A 93 6.721 -5.821 3.162 1.00 0.00 C ATOM 1243 O CYS A 93 6.459 -6.500 4.154 1.00 0.00 O ATOM 1244 CB CYS A 93 7.734 -6.670 1.025 1.00 0.00 C ATOM 1245 SG CYS A 93 8.037 -5.556 -0.386 1.00 0.00 S ATOM 0 H CYS A 93 8.398 -7.749 3.569 1.00 0.00 H new ATOM 0 HA CYS A 93 8.524 -5.098 2.257 1.00 0.00 H new ATOM 0 HB2 CYS A 93 8.349 -7.562 0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.694 -6.994 0.998 1.00 0.00 H new ATOM 1250 N GLN A 94 5.910 -4.869 2.717 1.00 0.00 N ATOM 1251 CA GLN A 94 4.644 -4.584 3.381 1.00 0.00 C ATOM 1252 C GLN A 94 3.693 -3.850 2.444 1.00 0.00 C ATOM 1253 O GLN A 94 4.077 -3.448 1.346 1.00 0.00 O ATOM 1254 CB GLN A 94 4.859 -3.775 4.668 1.00 0.00 C ATOM 1255 CG GLN A 94 5.586 -2.455 4.470 1.00 0.00 C ATOM 1256 CD GLN A 94 5.511 -1.561 5.694 1.00 0.00 C ATOM 1257 OE1 GLN A 94 6.359 -1.631 6.582 1.00 0.00 O ATOM 1258 NE2 GLN A 94 4.495 -0.717 5.748 1.00 0.00 N ATOM 0 H GLN A 94 6.105 -4.284 1.904 1.00 0.00 H new ATOM 0 HA GLN A 94 4.193 -5.538 3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.889 -3.576 5.123 1.00 0.00 H new ATOM 0 HB3 GLN A 94 5.424 -4.384 5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.631 -2.652 4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.157 -1.932 3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.813 -0.691 4.990 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.393 -0.092 6.548 1.00 0.00 H new ATOM 1267 N VAL A 95 2.449 -3.693 2.880 1.00 0.00 N ATOM 1268 CA VAL A 95 1.436 -3.017 2.081 1.00 0.00 C ATOM 1269 C VAL A 95 1.070 -1.673 2.704 1.00 0.00 C ATOM 1270 O VAL A 95 0.963 -1.554 3.928 1.00 0.00 O ATOM 1271 CB VAL A 95 0.159 -3.879 1.950 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -0.771 -3.323 0.882 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.512 -5.328 1.646 1.00 0.00 C ATOM 0 H VAL A 95 2.117 -4.026 3.785 1.00 0.00 H new ATOM 0 HA VAL A 95 1.857 -2.857 1.089 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.363 -3.845 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.660 -3.949 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.063 -2.307 1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.257 -3.314 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.403 -5.915 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.067 -5.378 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.125 -5.730 2.453 1.00 0.00 H new ATOM 1283 N GLY A 96 0.888 -0.663 1.864 1.00 0.00 N ATOM 1284 CA GLY A 96 0.532 0.648 2.347 1.00 0.00 C ATOM 1285 C GLY A 96 -0.837 1.070 1.870 1.00 0.00 C ATOM 1286 O GLY A 96 -1.124 1.021 0.676 1.00 0.00 O ATOM 0 H GLY A 96 0.982 -0.734 0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.554 0.652 3.437 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.273 1.373 2.010 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.679 1.481 2.804 1.00 0.00 N ATOM 1291 CA LEU A 97 -3.036 1.902 2.482 1.00 0.00 C ATOM 1292 C LEU A 97 -3.449 3.079 3.355 1.00 0.00 C ATOM 1293 O LEU A 97 -3.484 2.968 4.585 1.00 0.00 O ATOM 1294 CB LEU A 97 -4.015 0.731 2.676 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.421 -0.520 3.336 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.504 -0.425 4.849 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.124 -1.771 2.844 1.00 0.00 C ATOM 0 H LEU A 97 -1.447 1.533 3.796 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.063 2.216 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.853 1.077 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.418 0.451 1.703 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.370 -0.582 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.077 -1.324 5.294 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.948 0.448 5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.547 -0.331 5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.687 -2.647 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.184 -1.713 3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.006 -1.853 1.764 1.00 0.00 H new ATOM 1309 N SER A 98 -3.734 4.209 2.723 1.00 0.00 N ATOM 1310 CA SER A 98 -4.152 5.413 3.432 1.00 0.00 C ATOM 1311 C SER A 98 -4.922 6.334 2.494 1.00 0.00 C ATOM 1312 O SER A 98 -4.878 6.168 1.278 1.00 0.00 O ATOM 1313 CB SER A 98 -2.941 6.161 4.004 1.00 0.00 C ATOM 1314 OG SER A 98 -2.229 5.360 4.930 1.00 0.00 O ATOM 0 H SER A 98 -3.683 4.318 1.710 1.00 0.00 H new ATOM 0 HA SER A 98 -4.798 5.111 4.257 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.278 6.457 3.192 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.275 7.076 4.493 1.00 0.00 H new ATOM 0 HG SER A 98 -2.673 4.491 5.020 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.637 7.293 3.065 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.404 8.249 2.273 1.00 0.00 C ATOM 1322 C ASP A 99 -5.490 9.359 1.754 1.00 0.00 C ATOM 1323 O ASP A 99 -4.270 9.283 1.900 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.541 8.844 3.114 1.00 0.00 C ATOM 1325 CG ASP A 99 -7.066 9.951 4.034 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -6.170 9.696 4.869 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.578 11.081 3.922 1.00 0.00 O ATOM 0 H ASP A 99 -5.703 7.431 4.073 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.838 7.728 1.420 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.313 9.234 2.451 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.000 8.054 3.708 1.00 0.00 H new ATOM 1332 N ALA A 100 -6.081 10.391 1.158 1.00 0.00 N ATOM 1333 CA ALA A 100 -5.319 11.517 0.624 1.00 0.00 C ATOM 1334 C ALA A 100 -4.503 12.208 1.718 1.00 0.00 C ATOM 1335 O ALA A 100 -3.439 12.769 1.449 1.00 0.00 O ATOM 1336 CB ALA A 100 -6.256 12.509 -0.044 1.00 0.00 C ATOM 0 H ALA A 100 -7.090 10.471 1.032 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.619 11.131 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.679 13.345 -0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.786 12.017 -0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.976 12.878 0.686 1.00 0.00 H new ATOM 1342 N ALA A 101 -5.008 12.177 2.947 1.00 0.00 N ATOM 1343 CA ALA A 101 -4.309 12.785 4.067 1.00 0.00 C ATOM 1344 C ALA A 101 -3.213 11.853 4.561 1.00 0.00 C ATOM 1345 O ALA A 101 -2.063 12.259 4.728 1.00 0.00 O ATOM 1346 CB ALA A 101 -5.276 13.113 5.191 1.00 0.00 C ATOM 0 H ALA A 101 -5.896 11.738 3.189 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.855 13.717 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.731 13.567 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.032 13.809 4.829 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.760 12.198 5.533 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.571 10.598 4.788 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.598 9.630 5.246 1.00 0.00 C ATOM 1354 C GLY A 102 -3.022 8.929 6.522 1.00 0.00 C ATOM 1355 O GLY A 102 -2.201 8.698 7.410 1.00 0.00 O ATOM 0 H GLY A 102 -4.516 10.234 4.663 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.436 8.887 4.465 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.644 10.131 5.412 1.00 0.00 H new ATOM 1359 N ASN A 103 -4.301 8.600 6.624 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.820 7.913 7.803 1.00 0.00 C ATOM 1361 C ASN A 103 -5.851 6.867 7.402 1.00 0.00 C ATOM 1362 O ASN A 103 -6.354 6.883 6.275 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.440 8.917 8.781 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.631 9.064 10.057 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -4.852 8.352 11.037 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -3.690 9.997 10.056 1.00 0.00 N ATOM 0 H ASN A 103 -5.000 8.796 5.907 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.989 7.411 8.298 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.524 9.889 8.294 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.452 8.598 9.031 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -3.118 10.145 10.887 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -3.538 10.567 9.224 1.00 0.00 H new ATOM 1373 N GLY A 104 -6.149 5.958 8.319 1.00 0.00 N ATOM 1374 CA GLY A 104 -7.116 4.913 8.055 1.00 0.00 C ATOM 1375 C GLY A 104 -6.753 3.621 8.759 1.00 0.00 C ATOM 1376 O GLY A 104 -6.537 3.615 9.970 1.00 0.00 O ATOM 0 H GLY A 104 -5.733 5.926 9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -8.103 5.240 8.381 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.177 4.737 6.981 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.679 2.502 8.026 1.00 0.00 N ATOM 1381 CA PRO A 105 -6.322 1.208 8.603 1.00 0.00 C ATOM 1382 C PRO A 105 -4.818 1.080 8.825 1.00 0.00 C ATOM 1383 O PRO A 105 -4.030 1.808 8.218 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.801 0.215 7.547 1.00 0.00 C ATOM 1385 CG PRO A 105 -6.722 0.959 6.255 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.946 2.413 6.578 1.00 0.00 C ATOM 0 HA PRO A 105 -6.768 1.050 9.585 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.173 -0.676 7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.819 -0.117 7.750 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.750 0.813 5.783 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.475 0.598 5.554 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.276 3.056 6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.964 2.723 6.340 1.00 0.00 H new ATOM 1394 N GLU A 106 -4.419 0.158 9.688 1.00 0.00 N ATOM 1395 CA GLU A 106 -3.006 -0.044 9.978 1.00 0.00 C ATOM 1396 C GLU A 106 -2.354 -0.928 8.917 1.00 0.00 C ATOM 1397 O GLU A 106 -2.956 -1.898 8.452 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.828 -0.667 11.363 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.494 -0.335 12.010 1.00 0.00 C ATOM 1400 CD GLU A 106 -1.199 -1.208 13.206 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.921 -1.100 14.219 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.248 -2.015 13.135 1.00 0.00 O ATOM 0 H GLU A 106 -5.050 -0.460 10.198 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.516 0.929 9.964 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.633 -0.325 12.013 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.923 -1.750 11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.698 -0.451 11.274 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.493 0.711 12.318 1.00 0.00 H new ATOM 1409 N GLY A 107 -1.128 -0.582 8.539 1.00 0.00 N ATOM 1410 CA GLY A 107 -0.405 -1.337 7.529 1.00 0.00 C ATOM 1411 C GLY A 107 0.022 -2.713 8.012 1.00 0.00 C ATOM 1412 O GLY A 107 0.237 -2.925 9.207 1.00 0.00 O ATOM 0 H GLY A 107 -0.617 0.216 8.918 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.034 -1.447 6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.478 -0.774 7.225 1.00 0.00 H new ATOM 1416 N VAL A 108 0.152 -3.643 7.074 1.00 0.00 N ATOM 1417 CA VAL A 108 0.546 -5.009 7.389 1.00 0.00 C ATOM 1418 C VAL A 108 1.806 -5.391 6.619 1.00 0.00 C ATOM 1419 O VAL A 108 1.949 -5.054 5.440 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.585 -6.013 7.060 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.225 -7.411 7.538 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -1.900 -5.564 7.676 1.00 0.00 C ATOM 0 H VAL A 108 -0.011 -3.473 6.082 1.00 0.00 H new ATOM 0 HA VAL A 108 0.747 -5.054 8.459 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.704 -6.042 5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.035 -8.098 7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.690 -7.740 7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.071 -7.398 8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.681 -6.284 7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.791 -5.499 8.759 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.172 -4.586 7.280 1.00 0.00 H new ATOM 1432 N ALA A 109 2.718 -6.089 7.289 1.00 0.00 N ATOM 1433 CA ALA A 109 3.965 -6.515 6.668 1.00 0.00 C ATOM 1434 C ALA A 109 3.836 -7.934 6.127 1.00 0.00 C ATOM 1435 O ALA A 109 3.107 -8.756 6.687 1.00 0.00 O ATOM 1436 CB ALA A 109 5.110 -6.419 7.663 1.00 0.00 C ATOM 0 H ALA A 109 2.615 -6.371 8.264 1.00 0.00 H new ATOM 0 HA ALA A 109 4.181 -5.851 5.831 1.00 0.00 H new ATOM 0 HB1 ALA A 109 6.035 -6.740 7.185 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.215 -5.387 7.999 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.902 -7.060 8.520 1.00 0.00 H new ATOM 1442 N ILE A 110 4.536 -8.215 5.034 1.00 0.00 N ATOM 1443 CA ILE A 110 4.499 -9.532 4.413 1.00 0.00 C ATOM 1444 C ILE A 110 5.910 -10.023 4.105 1.00 0.00 C ATOM 1445 O ILE A 110 6.811 -9.231 3.824 1.00 0.00 O ATOM 1446 CB ILE A 110 3.661 -9.534 3.113 1.00 0.00 C ATOM 1447 CG1 ILE A 110 4.184 -8.488 2.123 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.198 -9.276 3.433 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.500 -8.532 0.769 1.00 0.00 C ATOM 0 H ILE A 110 5.139 -7.544 4.558 1.00 0.00 H new ATOM 0 HA ILE A 110 4.025 -10.206 5.127 1.00 0.00 H new ATOM 0 HB ILE A 110 3.752 -10.515 2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.053 -7.495 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.255 -8.636 1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.618 -9.280 2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.828 -10.057 4.098 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.098 -8.306 3.921 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.923 -7.763 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.653 -9.511 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.432 -8.353 0.895 1.00 0.00 H new ATOM 1461 N SER A 111 6.106 -11.326 4.179 1.00 0.00 N ATOM 1462 CA SER A 111 7.407 -11.910 3.906 1.00 0.00 C ATOM 1463 C SER A 111 7.301 -12.955 2.805 1.00 0.00 C ATOM 1464 O SER A 111 6.300 -13.667 2.711 1.00 0.00 O ATOM 1465 CB SER A 111 7.960 -12.539 5.180 1.00 0.00 C ATOM 1466 OG SER A 111 7.617 -11.759 6.313 1.00 0.00 O ATOM 0 H SER A 111 5.382 -12.000 4.426 1.00 0.00 H new ATOM 0 HA SER A 111 8.085 -11.126 3.569 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.565 -13.549 5.294 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.044 -12.627 5.107 1.00 0.00 H new ATOM 0 HG SER A 111 7.979 -12.179 7.121 1.00 0.00 H new ATOM 1472 N PHE A 112 8.324 -13.033 1.967 1.00 0.00 N ATOM 1473 CA PHE A 112 8.338 -13.996 0.880 1.00 0.00 C ATOM 1474 C PHE A 112 8.936 -15.320 1.349 1.00 0.00 C ATOM 1475 O PHE A 112 9.724 -15.356 2.301 1.00 0.00 O ATOM 1476 CB PHE A 112 9.121 -13.443 -0.314 1.00 0.00 C ATOM 1477 CG PHE A 112 8.460 -12.262 -0.972 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.214 -12.392 -1.562 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.085 -11.024 -1.005 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.604 -11.314 -2.172 1.00 0.00 C ATOM 1481 CE2 PHE A 112 8.478 -9.942 -1.615 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.237 -10.088 -2.199 1.00 0.00 C ATOM 0 H PHE A 112 9.153 -12.441 2.020 1.00 0.00 H new ATOM 0 HA PHE A 112 7.311 -14.176 0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 112 10.118 -13.152 0.019 1.00 0.00 H new ATOM 0 HB3 PHE A 112 9.249 -14.235 -1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.713 -13.349 -1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.057 -10.904 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.632 -11.430 -2.628 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.975 -8.983 -1.634 1.00 0.00 H new ATOM 0 HZ PHE A 112 6.761 -9.244 -2.677 1.00 0.00 H new ATOM 1492 N ASN A 113 8.545 -16.402 0.691 1.00 0.00 N ATOM 1493 CA ASN A 113 9.026 -17.735 1.042 1.00 0.00 C ATOM 1494 C ASN A 113 10.446 -17.948 0.543 1.00 0.00 C ATOM 1495 O ASN A 113 11.192 -18.716 1.183 1.00 0.00 O ATOM 1496 CB ASN A 113 8.095 -18.820 0.483 1.00 0.00 C ATOM 1497 CG ASN A 113 8.348 -19.149 -0.980 1.00 0.00 C ATOM 1498 OD1 ASN A 113 9.093 -20.076 -1.305 1.00 0.00 O ATOM 1499 ND2 ASN A 113 7.720 -18.397 -1.869 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.820 -17.331 -0.477 1.00 0.00 O ATOM 0 H ASN A 113 7.893 -16.385 -0.093 1.00 0.00 H new ATOM 0 HA ASN A 113 9.028 -17.812 2.129 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.212 -19.727 1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 113 7.061 -18.494 0.599 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.844 -18.575 -2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.112 -17.639 -1.558 1.00 0.00 H new